7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C12H8BrF2N5O — CID 126648876

IUPAC7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2c(F)ccc(Br)c2F)c2n[nH]nc2n1
InChIInChI=1S/C12H8BrF2N5O/c13-6-1-2-7(14)5(10(6)15)4-21-8-3-9(16)17-12-11(8)18-20-19-12/h1-3H,4H2,(H3,16,17,18,19,20)
InChIKeyYYRBUUMFYROBID-UHFFFAOYSA-N
MW356.13 g/mol
LogP2.55
Rot. Bonds3

About 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648876) has the molecular formula C12H8BrF2N5O and a molecular weight of 356.13 g/mol. Its IUPAC name is 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648876
Molecular FormulaC12H8BrF2N5O
Molecular Weight356.13 g/mol
Exact Mass354.99
IUPAC Name7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2c(F)ccc(Br)c2F)c2n[nH]nc2n1
InChIInChI=1S/C12H8BrF2N5O/c13-6-1-2-7(14)5(10(6)15)4-21-8-3-9(16)17-12-11(8)18-20-19-12/h1-3H,4H2,(H3,16,17,18,19,20)
InChIKeyYYRBUUMFYROBID-UHFFFAOYSA-N
XLogP2.55
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649069
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-((4-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126678883
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
7-[(2,6-dichlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678975
7-((3-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126680348
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680363
7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949422
7-[[6-(trifluoromethyl)pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949703
7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949783

Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648876) is 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2c(F)ccc(Br)c2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is YYRBUUMFYROBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N5O/c13-6-1-2-7(14)5(10(6)15)4-21-8-3-9(16)17-12-11(8)18-20-19-12/h1-3H,4H2,(H3,16,17,18,19,20).
What are the key properties of 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 356.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).